N-(piperidin-2-ylmethyl)pyrido[2,3-b]pyrazin-2-amine;2,2,2-trifluoroacetic acid

C15H18F3N5O2 — CID 67089785

IUPACN-(piperidin-2-ylmethyl)pyrido[2,3-b]pyrazin-2-amine;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1cnc2ncc(NCC3CCCCN3)nc2c1
InChIInChI=1S/C13H17N5.C2HF3O2/c1-2-6-14-10(4-1)8-16-12-9-17-13-11(18-12)5-3-7-15-13;3-2(4,5)1(6)7/h3,5,7,9-10,14H,1-2,4,6,8H2,(H,16,18);(H,6,7)
InChIKeyZTPGIEAODYNCPY-UHFFFAOYSA-N
MW357.34 g/mol
LogP2.21
Rot. Bonds3

About N-(piperidin-2-ylmethyl)pyrido[2,3-b]pyrazin-2-amine;2,2,2-trifluoroacetic acid

N-(piperidin-2-ylmethyl)pyrido[2,3-b]pyrazin-2-amine;2,2,2-trifluoroacetic acid (PubChem CID 67089785) has the molecular formula C15H18F3N5O2 and a molecular weight of 357.34 g/mol. Its IUPAC name is N-(piperidin-2-ylmethyl)pyrido[2,3-b]pyrazin-2-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(piperidin-2-ylmethyl)pyrido[2,3-b]pyrazin-2-amine;2,2,2-trifluoroacetic acid
PubChem CID67089785
Molecular FormulaC15H18F3N5O2
Molecular Weight357.34 g/mol
Exact Mass357.14
IUPAC NameN-(piperidin-2-ylmethyl)pyrido[2,3-b]pyrazin-2-amine;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1cnc2ncc(NCC3CCCCN3)nc2c1
InChIInChI=1S/C13H17N5.C2HF3O2/c1-2-6-14-10(4-1)8-16-12-9-17-13-11(18-12)5-3-7-15-13;3-2(4,5)1(6)7/h3,5,7,9-10,14H,1-2,4,6,8H2,(H,16,18);(H,6,7)
InChIKeyZTPGIEAODYNCPY-UHFFFAOYSA-N
XLogP2.21
TPSA100.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.34
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(piperidin-2-ylmethyl)pyrido[2,3-b]pyrazin-2-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(piperidin-2-ylmethyl)pyrido[2,3-b]pyrazin-2-amine;2,2,2-trifluoroacetic acid (CID 67089785) is N-(piperidin-2-ylmethyl)pyrido[2,3-b]pyrazin-2-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(piperidin-2-ylmethyl)pyrido[2,3-b]pyrazin-2-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(piperidin-2-ylmethyl)pyrido[2,3-b]pyrazin-2-amine;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.c1cnc2ncc(NCC3CCCCN3)nc2c1.
What is the InChIKey of N-(piperidin-2-ylmethyl)pyrido[2,3-b]pyrazin-2-amine;2,2,2-trifluoroacetic acid?
The InChIKey is ZTPGIEAODYNCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5.C2HF3O2/c1-2-6-14-10(4-1)8-16-12-9-17-13-11(18-12)5-3-7-15-13;3-2(4,5)1(6)7/h3,5,7,9-10,14H,1-2,4,6,8H2,(H,16,18);(H,6,7).
What are the key properties of N-(piperidin-2-ylmethyl)pyrido[2,3-b]pyrazin-2-amine;2,2,2-trifluoroacetic acid?
N-(piperidin-2-ylmethyl)pyrido[2,3-b]pyrazin-2-amine;2,2,2-trifluoroacetic acid has a molecular weight of 357.34 g/mol, XLogP of 2.21, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-2-ylmethyl)pyrido[2,3-b]pyrazin-2-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 67089785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).